1F5T
DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL AND DTXR CONSENSUS BINDING SEQUENCE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 110 |
Detector technology | CCD |
Detector | ADSC QUANTUM |
Spacegroup name | P 41 |
Unit cell lengths | 116.178, 116.178, 142.919 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.830 - 3.000 |
R-factor | 0.245 |
Rwork | 0.245 |
R-free | 0.27300 |
RMSD bond length | 0.007 |
RMSD bond angle | 19.800 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 3.000 |
Rmerge | 0.149 |
Total number of observations | 520936 * |
Number of reflections | 37719 |
<I/σ(I)> | 10.5 |
Completeness [%] | 99.2 |
Redundancy | 13.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | drop consists of 2 micro litter of protein solution and 1 micro litter of reservoir solution * |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | sodium cacodylate | ||
2 | 1 | 1 | MgCl2 | ||
3 | 1 | 1 | spermine | ||
4 | 1 | 2 | MgCl2 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 0.5 (mM) | |
10 | 1 | reservoir | 10 (mM) | ||
11 | 1 | reservoir | spermine | 2 (mM) | |
2 | 1 | drop | DNA | 0.66 (mM) | |
3 | 1 | drop | Tris-HCl | 27 (mM) | |
4 | 1 | drop | 320 (mM) | ||
5 | 1 | drop | dithiothreitol | 0.74 (mM) | |
6 | 1 | drop | 4.9 (mM) | ||
7 | 1 | drop | 49 (mM) | ||
8 | 1 | drop | 1.48 (mM) | ||
9 | 1 | reservoir | sodium cacodylate | 100 (mM) |